UCSF

ZINC33788396

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.50 4.84 -27.53 1 7 0 81 315.395 10
Hi High (pH 8-9.5) 0.32 3.76 -43.05 0 7 -1 87 314.387 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )